8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one

C12H19NO2 — CID 67166474

IUPAC8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one
SMILESO=C1NCCC12CCCC1(CCCO1)C2
InChIInChI=1S/C12H19NO2/c14-10-11(6-7-13-10)3-1-4-12(9-11)5-2-8-15-12/h1-9H2,(H,13,14)
InChIKeyXZNPAIGJYBDEEI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.62
Rot. Bonds

About 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one

8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one (PubChem CID 67166474) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one.

Molecular Properties

Compound Name8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one
PubChem CID67166474
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one
SMILESO=C1NCCC12CCCC1(CCCO1)C2
InChIInChI=1S/C12H19NO2/c14-10-11(6-7-13-10)3-1-4-12(9-11)5-2-8-15-12/h1-9H2,(H,13,14)
InChIKeyXZNPAIGJYBDEEI-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one?
The IUPAC name of 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one (CID 67166474) is 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one.
What is the SMILES notation for 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one?
The canonical SMILES for 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one is O=C1NCCC12CCCC1(CCCO1)C2.
What is the InChIKey of 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one?
The InChIKey is XZNPAIGJYBDEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-10-11(6-7-13-10)3-1-4-12(9-11)5-2-8-15-12/h1-9H2,(H,13,14).
What are the key properties of 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one?
8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-3-azadispiro[4.1.47.35]tetradecan-4-one is sourced from PubChem (CID 67166474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).